dimethyl 5-[(4-chloranyl-3-methoxycarbonyl-phenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-chloranyl-3-methoxycarbonyl-phenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-chloro-3-methoxycarbonyl-phenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[[(4-chloro-3-methoxycarbonylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-chloro-3-methoxycarbonylphenyl)carbamothioylcarbamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-carbomethoxy-4-chloro-phenyl)thiocarbamoylcarbamoyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17ClN2O7S MolecularWeight: 464.87618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H17ClN2O7S/c1-28-17(25)11-6-10(7-12(8-11)18(26)29-2)16(24)23-20(31)22-13-4-5-15(21)14(9-13)19(27)30-3/h4-9H,1-3H3,(H2,22,23,24,31)